6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one

C20H22Cl2N2O — CID 141199660

IUPAC6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
SMILESCCC(CC)NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H22Cl2N2O/c1-3-16(4-2)24-20(12-13-6-5-7-14(21)10-13)17-9-8-15(22)11-18(17)23-19(20)25/h5-11,16,24H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyARTFGKDQXIMCLW-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.16
Rot. Bonds6

About 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one

6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one (PubChem CID 141199660) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
PubChem CID141199660
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one
SMILESCCC(CC)NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C20H22Cl2N2O/c1-3-16(4-2)24-20(12-13-6-5-7-14(21)10-13)17-9-8-15(22)11-18(17)23-19(20)25/h5-11,16,24H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyARTFGKDQXIMCLW-UHFFFAOYSA-N
XLogP5.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-3-methylbutanoic acid
CID 66991920
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3,4-difluoroanilino)-1H-indol-2-one
CID 24950436
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-cyclohexyl-4-methylpentanamide
CID 66991650
3-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 57479042
3-[2-aminoethyl(butan-2-yl)amino]-6-chloro-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 68566776
(3R)-3-anilino-3-benzyl-6-chloro-1H-indol-2-one
CID 132839204
6-chloro-3-[(3-chlorophenyl)methyl]-3-[3-(trifluoromethoxy)anilino]-1H-indol-2-one
CID 24950440
N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide
CID 150596245
4-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]octanoic acid
CID 70320059
3-bromo-3-[(3-chlorophenyl)methyl]-6-methyl-1H-indol-2-one
CID 59703601
2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-pentan-3-ylamino]-N-cyclohexylacetamide
CID 57479231
2-[2-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]anilino]-N-propan-2-ylacetamide
CID 68565540

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one (CID 141199660) is 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one is CCC(CC)NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one?
The InChIKey is ARTFGKDQXIMCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-3-16(4-2)24-20(12-13-6-5-7-14(21)10-13)17-9-8-15(22)11-18(17)23-19(20)25/h5-11,16,24H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one?
6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one has a molecular weight of 377.32 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methyl]-3-(pentan-3-ylamino)-1H-indol-2-one is sourced from PubChem (CID 141199660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).